A DFT and MP2 study on the molecular structure and vibrational spectra of halogenosubstituted phosphoryl and thiophosphoryl compounds

Structural Chemistry

Volumn 14, Issue 5, 2003, Pages 511-525

  Sheng, Yinghong ^a   Venkatraman, Ramaiyer ^a   Kwiatkowski, Józef S ^b,c   Majewska, Joanna ^b   Leszczynski, Jerzy ^a  

^a JACKSON STATE UNIVERSITY   (United States)

^b NICOLAUS COPERNICUS UNIVERSITY   (Poland)

^c UNIVERSITY OF WARSAW   (Poland)

Author keywords

Depolarization ratio; DFT and MP2 calculations; Phosphoryl halides; Raman and infrared spectra; Rotational constant; Thiophosphoryl halides

Indexed keywords

PHOSPHORUS DERIVATIVE; PHOSPHORYL HALIDE; THIOPHOSPHORYL HALIDE; UNCLASSIFIED DRUG;

CONFERENCE PAPER; DENSITY FUNCTIONAL THEORY; DEPOLARIZATION; DIPOLE; GEOMETRY; INFRARED SPECTROSCOPY; MATHEMATICAL COMPUTING; PREDICTION; RAMAN SPECTROMETRY; ROTATION; SUBSTITUTION REACTION; VIBRATION;

EID: 3843117597     PISSN: 10400400     EISSN: None     Source Type: Journal    
DOI: 10.1023/B:STUC.0000004495.57863.63     Document Type: Conference Paper

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